[4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate

C16H10F6O2 — CID 11462168

IUPAC[4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)12-5-1-10(2-6-12)9-24-14(23)11-3-7-13(8-4-11)16(20,21)22/h1-8H,9H2
InChIKeyVMUOIDNOBQQCED-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.08
Rot. Bonds3

About [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate

[4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate (PubChem CID 11462168) has the molecular formula C16H10F6O2 and a molecular weight of 348.24 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate
PubChem CID11462168
Molecular FormulaC16H10F6O2
Molecular Weight348.24 g/mol
Exact Mass348.06
IUPAC Name[4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)12-5-1-10(2-6-12)9-24-14(23)11-3-7-13(8-4-11)16(20,21)22/h1-8H,9H2
InChIKeyVMUOIDNOBQQCED-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate (CID 11462168) is [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate is O=C(OCc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate?
The InChIKey is VMUOIDNOBQQCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O2/c17-15(18,19)12-5-1-10(2-6-12)9-24-14(23)11-3-7-13(8-4-11)16(20,21)22/h1-8H,9H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate?
[4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate has a molecular weight of 348.24 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 11462168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).